N-(2-aminoethyl)-2-cyclopropylsulfonylacetamide

C7H14N2O3S — CID 84674340

IUPACN-(2-aminoethyl)-2-cyclopropylsulfonylacetamide
SMILESNCCNC(=O)CS(=O)(=O)C1CC1
InChIInChI=1S/C7H14N2O3S/c8-3-4-9-7(10)5-13(11,12)6-1-2-6/h6H,1-5,8H2,(H,9,10)
InChIKeyBIIIHFJQFJHKNV-UHFFFAOYSA-N
MW206.27 g/mol
LogP-1.36
Rot. Bonds5

About N-(2-aminoethyl)-2-cyclopropylsulfonylacetamide

N-(2-aminoethyl)-2-cyclopropylsulfonylacetamide (PubChem CID 84674340) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-cyclopropylsulfonylacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-cyclopropylsulfonylacetamide
PubChem CID84674340
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC NameN-(2-aminoethyl)-2-cyclopropylsulfonylacetamide
SMILESNCCNC(=O)CS(=O)(=O)C1CC1
InChIInChI=1S/C7H14N2O3S/c8-3-4-9-7(10)5-13(11,12)6-1-2-6/h6H,1-5,8H2,(H,9,10)
InChIKeyBIIIHFJQFJHKNV-UHFFFAOYSA-N
XLogP-1.36
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid
CID 119237505
2-[3-(ethylamino)cyclopentyl]sulfonyl-N-propylacetamide
CID 114232681
N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide
CID 100925313
N,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide
CID 59846980
2-[3-(2-aminoethylamino)-3-oxopropyl]sulfonylacetic acid
CID 82182739
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride
CID 119606077
ethyl 2-cyclopropylsulfonylacetate
CID 56604727
2-cyclopentylsulfonyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120943963
methyl 3-[2-(2-aminoethylamino)-2-oxoethyl]sulfonylpropanoate
CID 64697428
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313805
2-(2-aminoethylsulfonyl)-N-butylacetamide
CID 79015229
N-(2-aminoethyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 61207694

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-cyclopropylsulfonylacetamide?
The IUPAC name of N-(2-aminoethyl)-2-cyclopropylsulfonylacetamide (CID 84674340) is N-(2-aminoethyl)-2-cyclopropylsulfonylacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-cyclopropylsulfonylacetamide?
The canonical SMILES for N-(2-aminoethyl)-2-cyclopropylsulfonylacetamide is NCCNC(=O)CS(=O)(=O)C1CC1.
What is the InChIKey of N-(2-aminoethyl)-2-cyclopropylsulfonylacetamide?
The InChIKey is BIIIHFJQFJHKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c8-3-4-9-7(10)5-13(11,12)6-1-2-6/h6H,1-5,8H2,(H,9,10).
What are the key properties of N-(2-aminoethyl)-2-cyclopropylsulfonylacetamide?
N-(2-aminoethyl)-2-cyclopropylsulfonylacetamide has a molecular weight of 206.27 g/mol, XLogP of -1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-cyclopropylsulfonylacetamide is sourced from PubChem (CID 84674340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).